5,6-dimethoxy-2-methyl-1H-indole;ethane

C13H19NO2 — CID 171088058

IUPAC5,6-dimethoxy-2-methyl-1H-indole;ethane
SMILESCC.COc1cc2cc(C)[nH]c2cc1OC
InChIInChI=1S/C11H13NO2.C2H6/c1-7-4-8-5-10(13-2)11(14-3)6-9(8)12-7;1-2/h4-6,12H,1-3H3;1-2H3
InChIKeyYCOXSVLXPBGNTA-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.52
Rot. Bonds2

About 5,6-dimethoxy-2-methyl-1H-indole;ethane

5,6-dimethoxy-2-methyl-1H-indole;ethane (PubChem CID 171088058) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5,6-dimethoxy-2-methyl-1H-indole;ethane.

Molecular Properties

Compound Name5,6-dimethoxy-2-methyl-1H-indole;ethane
PubChem CID171088058
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5,6-dimethoxy-2-methyl-1H-indole;ethane
SMILESCC.COc1cc2cc(C)[nH]c2cc1OC
InChIInChI=1S/C11H13NO2.C2H6/c1-7-4-8-5-10(13-2)11(14-3)6-9(8)12-7;1-2/h4-6,12H,1-3H3;1-2H3
InChIKeyYCOXSVLXPBGNTA-UHFFFAOYSA-N
XLogP3.52
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-methyl-1H-indole;ethane?
The IUPAC name of 5,6-dimethoxy-2-methyl-1H-indole;ethane (CID 171088058) is 5,6-dimethoxy-2-methyl-1H-indole;ethane.
What is the SMILES notation for 5,6-dimethoxy-2-methyl-1H-indole;ethane?
The canonical SMILES for 5,6-dimethoxy-2-methyl-1H-indole;ethane is CC.COc1cc2cc(C)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-methyl-1H-indole;ethane?
The InChIKey is YCOXSVLXPBGNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C2H6/c1-7-4-8-5-10(13-2)11(14-3)6-9(8)12-7;1-2/h4-6,12H,1-3H3;1-2H3.
What are the key properties of 5,6-dimethoxy-2-methyl-1H-indole;ethane?
5,6-dimethoxy-2-methyl-1H-indole;ethane has a molecular weight of 221.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-methyl-1H-indole;ethane is sourced from PubChem (CID 171088058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).